VYM

(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone

Created: 2020-09-22
Last modified:  2020-12-09

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count6
2D diagram of VYM

Chemical Component Summary

Name(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone
Systematic Name (OpenEye OEToolkits)(7-azanyl-3,4-dihydro-2~{H}-quinolin-1-yl)-cyclopropyl-methanone
FormulaC13 H16 N2 O
Molecular Weight216.279
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(C1CC1)(=O)N3CCCc2ccc(cc23)N
SMILESCACTVS3.385Nc1ccc2CCCN(C(=O)C3CC3)c2c1
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1N)N(CCC2)C(=O)C3CC3
Canonical SMILESCACTVS3.385 Nc1ccc2CCCN(C(=O)C3CC3)c2c1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2c(cc1N)N(CCC2)C(=O)C3CC3
InChIInChI1.03 InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
InChIKeyInChI1.03 ZNDAWHMDCROZJT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 16642539
ChEMBL CHEMBL3356573